CID 210576

1,2-benzisothiazole, 3-(2-(diethylamino)ethoxy)-6-methyl-, monohydrochloride

Structural Information

Molecular Formula
C14H20N2OS
SMILES
CCN(CC)CCOC1=NSC2=C1C=CC(=C2)C
InChI
InChI=1S/C14H20N2OS/c1-4-16(5-2)8-9-17-14-12-7-6-11(3)10-13(12)18-15-14/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey
GFCZITQGQFAUJO-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[(6-methyl-1,2-benzothiazol-3-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12964 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13692 160.4
[M+Na]+ 287.11886 169.5
[M-H]- 263.12236 165.5
[M+NH4]+ 282.16346 180.2
[M+K]+ 303.09280 166.5
[M+H-H2O]+ 247.12690 153.3
[M+HCOO]- 309.12784 180.7
[M+CH3COO]- 323.14349 202.3
[M+Na-2H]- 285.10431 162.9
[M]+ 264.12909 168.7
[M]- 264.13019 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.